2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide

C13H8ClN3O4 — CID 106686038

IUPAC2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccoc1Cl
InChIInChI=1S/C13H8ClN3O4/c14-10-7(3-4-21-10)11(18)15-6-1-2-8-9(5-6)17-13(20)12(19)16-8/h1-5H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyUNIUAIAAIBOVIC-UHFFFAOYSA-N
MW305.68 g/mol
LogP1.72
Rot. Bonds2

About 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide

2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide (PubChem CID 106686038) has the molecular formula C13H8ClN3O4 and a molecular weight of 305.68 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
PubChem CID106686038
Molecular FormulaC13H8ClN3O4
Molecular Weight305.68 g/mol
Exact Mass305.02
IUPAC Name2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccoc1Cl
InChIInChI=1S/C13H8ClN3O4/c14-10-7(3-4-21-10)11(18)15-6-1-2-8-9(5-6)17-13(20)12(19)16-8/h1-5H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyUNIUAIAAIBOVIC-UHFFFAOYSA-N
XLogP1.72
TPSA107.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.68
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-fluoro-3-methylphenyl)furan-3-carboxamide
CID 106686753
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
5-[(2-chlorofuran-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 106683355
N-(1-benzothiophen-5-yl)-2-chlorofuran-3-carboxamide
CID 106685930
2-chloro-N-pyrimidin-5-ylfuran-3-carboxamide
CID 106812415
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106685898
2-chloro-N-[4-(cyclopropanecarbonylamino)phenyl]furan-3-carboxamide
CID 106685634
2-chloro-N-[3-(propanoylamino)phenyl]furan-3-carboxamide
CID 106686546
2-chloro-N-(3-fluoro-4-nitrophenyl)furan-3-carboxamide
CID 106687096
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
2-chloro-5-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 78769975

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide (CID 106686038) is 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide is O=C(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide?
The InChIKey is UNIUAIAAIBOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O4/c14-10-7(3-4-21-10)11(18)15-6-1-2-8-9(5-6)17-13(20)12(19)16-8/h1-5H,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide?
2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide has a molecular weight of 305.68 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)furan-3-carboxamide is sourced from PubChem (CID 106686038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).